Research chemical
CAS Number: 1639430-82-2
![[(2R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-4-hydroxytetrahydro-5-furyl]methyl {[(4-{[(2S,5S)-2-{3-[(aminocarbonyl)amino]propyl}-12-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1,4,7-trioxo-5-( molecular structure, CAS 1639430-82-2](/structure-images/1639430-82-2.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
118596230
Exact Mass
861.346874
InChIKey
FSBNZZVMRGRKNE-MSLBYVCPSA-N
IUPAC Name
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl carbonate
SMILES String
CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]2O)cc1
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
[(2R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-3,3-difluoro-4-hydroxytetrahydro-5-furyl]methyl {[(4-{[(2S,5S)-2-{3-[(aminocarbonyl)amino]propyl}-12-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1,4,7-trioxo-5-( is identified by CAS 1639430-82-2, with molecular formula C38H49F2N9O12, molecular weight 861.8, InChIKey FSBNZZVMRGRKNE-MSLBYVCPSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
61
H-bond acceptors
21
H-bond donors
9
Rotatable bonds
21
Ring count
4
Aromatic rings
2
Topological polar surface area
305.7 Ų
Computed LogP
0.57
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
80 g/mol, PubChem CID 118596230.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.